1MKD

crystal structure of PDE4D catalytic domain and zardaverine complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-12-20
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	97.325, 164.572, 325.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.980 - 2.900
R-factor	0.245
Rwork	0.245
R-free	0.27100 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.260 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.073 *	0.367 *
Total number of observations	730381 *
Number of reflections	114897
Completeness [%]	99.3	99.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	PEG8000, MgAcetate, DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3 (mM)
2	1	reservoir	sodium cacodylate	0.1 (M)	pH6.5
3	1	reservoir	PEG8000	11 (%)
4	1	reservoir	magnesium acetate	0.6 (M)
5	1	reservoir	dithiothreitol	5 (mM)